SCHEMBL26601358

SCHEMBL26601358

CCOC(=O)CSc1nc2ccccc2c2cc(CNC(=O)c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PSMD14 O00487 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRNP P04156 1/20 0.40
GNRHR P30968 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31675858 1.00 PDE10A (0.49) PDE10ASMN1; SMN2NPC1TP53MAPT
SCHEMBL31675879 0.90 POLB (0.38) PDE10ATP53RAB9ATSHRALDH1A1
SCHEMBL26601311 0.90 POLB (0.38) PDE10ATP53RAB9ATSHRALDH1A1
SCHEMBL26629775 0.87 ALDH1A1 (0.41) TP53RAB9AALDH1A1L3MBTL1
SCHEMBL31461702 0.87 ALDH1A1 (0.41) TP53RAB9AALDH1A1L3MBTL1
SCHEMBL31461697 0.87 ALDH1A1 (0.41) TP53RAB9AALDH1A1L3MBTL1
SCHEMBL26630686 0.86 EGFR (0.37) SMN1; SMN2TP53MAPTRAB9AGAA
SCHEMBL31571994 0.86 KMT2A (0.41) SMN1; SMN2TP53MAPTALDH1A1L3MBTL1
SCHEMBL31461693 0.84 ALDH1A1 (0.44) SMN1; SMN2TP53RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL30623528 0.84 EGFR (0.38) SMN1; SMN2TP53MAPTGAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205219-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) COMPOSITIONS USING UBIQUITIN CONJUGATING ENZYME LIGANDS BERG LLC (US) 2023-10-26 WO disclosed
WO-2023205219-A1 PROTEOLYSIS TARGETING CHIMERA (PROTAC) COMPOSITIONS USING UBIQUITIN CONJUGATING ENZYME LIGANDS BERG LLC (US) 2023-10-26 WO disclosed